[gmx-users] Re:Re: How to complie gromacs on sgi Altix450?

Hello, Martin I complied fftw3.2.2 and gromacs4.0.5 on the Altix450 workstation again. I use these commands: not for parallel version ;for fftw3; ./configure --prefix=/opt/fftw3 make make install make distclean export CPPFLAGS=-I/opt/fftw3/include epxort LDFLAGS=-L/opt/fftw3/lib for

Re: [gmx-users] Re:Re: How to complie gromacs on sgi Altix450?

Hi, there is an issue on the Altix with the assembly kernels which you might suffer from. Your simulation would then get stuck at time step 0, which could be the case from the status of the run you are reporting. Try to compile with the following extra options: --disable-ia64-asm

Re: [gmx-users] Re:Re: How to complie gromacs on sgi Altix450?

?? wrote: Hello, Martin I complied fftw3.2.2 and gromacs4.0.5 on the Altix450 workstation again. I use these commands: not for parallel version ;for fftw3; ./configure --prefix=/opt/fftw3 make make install make distclean export CPPFLAGS=-I/opt/fftw3/include epxort